Focused On-demand Library for Serine/threonine-protein kinase LMTK2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q8IWU2

UPID:

LMTK2_HUMAN

Alternative names:

Apoptosis-associated tyrosine kinase 2; Brain-enriched kinase; CDK5/p35-regulated kinase; Kinase/phosphatase/inhibitor 2; Lemur tyrosine kinase 2; Serine/threonine-protein kinase KPI-2

Alternative UPACC:

Q8IWU2; A4D272; Q75MG7; Q9UPS3

Background:

Serine/threonine-protein kinase LMTK2, also known as Apoptosis-associated tyrosine kinase 2 and several other names, plays a crucial role in cellular processes by phosphorylating key proteins such as PPP1C, phosphorylase b, and CFTR. Its diverse alternative names reflect its multifunctionality and presence in various biological contexts.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase LMTK2 could open doors to potential therapeutic strategies. Its involvement in phosphorylation signifies its importance in cellular signaling pathways, offering a promising target for drug discovery efforts.